1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(4-methoxy-2,3-dimethyl-benzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H27N3O+2 MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3O/c1-15-16(2)18(23-3)8-7-17(15)14-21-10-12-22(13-11-21)19-6-4-5-9-20-19/h4-9H,10-14H2,1-3H3/p+2